LC-ESI(±)-LTQ MSⁿ-Based Metabolomic Profiling of Coffee: Fragmentation Pathways for Identification of Major Polar Compounds.

ABSTRACT: Coffee is characterized by a complex chemical matrix that significantly influences its organoleptic properties and market value. This complexity is driven by factors such as botanical species, geographical origin, cultivation conditions, and post-harvest processing methods. Metabolomic studies aim to elucidate how these factors impact the biosynthesis of metabolites that contribute to the sensory qualities of high-quality coffee. Among various analytical techniques, liquid chromatography-mass spectrometry (LC-MS) is particularly effective for separating, identifying, and quantifying these compounds. Most metabolomic studies employ high-resolution mass spectrometry (HRMS) for its superior mass accuracy (<1 ppm), whereas the interpretation of low-resolution data requires additional effort, o

SUBMITTER: Lyrio MVV 

PROVIDER: S-EPMC12142669 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature